{"id":23720,"npaid":"NPA023720","original_name":"Palustrisolide D","mol_formula":"C34H50O7","mol_weight":"570.7670","exact_mass":"570.3557","inchikey":"FKAIFDOROOLHBN-MSPYFRFISA-N","smiles":"CC1=C(C(=O)O[C@H]1C[C@@H](C)[C@H]2CC[C@@]3([C@@]2([C@H](CC4=C3CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)CC(=O)O)C)O)C)C)C","cluster_id":69,"node_id":64,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C34H50O7/c1-18(15-24-19(2)20(3)30(39)40-24)21-11-14-33(7)22-9-10-25-31(4,5)27(41-29(38)17-28(36)37)12-13-32(25,6)23(22)16-26(35)34(21,33)8/h18,21,24-27,35H,9-17H2,1-8H3,(H,36,37)/t18-,21-,24+,25+,26+,27-,32-,33+,34+/m1/s1","m_plus_h":"571.3630","m_plus_na":"593.3449","origin_reference":{"doi":"10.1016/j.phytochem.2018.04.012","pmid":29715599,"authors":"Zhao, Jinzhi; Yang, Yun; Yu, Mengyao; Yao, Ke; Luo, Xia; Qi, Huayi; Zhang, Guolin; Luo, Yinggang","title":"Lanostane-type C31 triterpenoid derivatives from the fruiting bodies of cultivated Fomitopsis palustris","journal":"Phytochemistry","year":2018,"volume":"152","issue":null,"pages":"10-21"},"origin_organism":{"id":8202,"type":"Fungus","genus":"Fomitopsis","species":"palustris","taxon":{"id":1521,"name":"Fomitopsis","rank":"genus","taxon_db":"mycobank","external_id":"17612","ncbi_id":34474,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1511,"name":"Polyporales","rank":"order","taxon_db":"mycobank","external_id":"90565","ncbi_id":5303},{"id":1518,"name":"Fomitopsidaceae","rank":"family","taxon_db":"mycobank","external_id":"81772","ncbi_id":1769247}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.phytochem.2018.04.012","structure_smiles":"CC1=C(C(=O)O[C@H]1C[C@@H](C)[C@H]2CC[C@@]3([C@@]2([C@H](CC4=C3CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)CC(=O)O)C)O)C)C)C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0018021"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000258","name":"Steroids and steroid derivatives","chemont_id":"CHEMONTID:0000258","description":"Compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. 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They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic heteropolycyclic compounds","external_descriptors":[],"predicted_chebi_terms":["triterpenoid (CHEBI:36615)","steroid ester (CHEBI:47880)","steroid (CHEBI:35341)","12-hydroxy steroid (CHEBI:36845)","carbonyl compound (CHEBI:36586)","butenolide (CHEBI:50523)","enoate ester (CHEBI:51702)","secondary alcohol (CHEBI:35681)","lactone (CHEBI:25000)","oxacycle (CHEBI:38104)","carboxylic acid (CHEBI:33575)","carboxylic acid anion (CHEBI:29067)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","withanolide (CHEBI:74716)","chemical entity (CHEBI:24431)","lipid (CHEBI:18059)","ether lipid (CHEBI:64611)","hydroxy steroid (CHEBI:35350)","organooxygen compound (CHEBI:36963)","organic heterocyclic compound (CHEBI:24532)","dihydrofuran (CHEBI:51659)","furans (CHEBI:24129)","cyclic ketone (CHEBI:3992)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","carboxylic ester (CHEBI:33308)","alpha,beta-unsaturated carboxylic ester (CHEBI:51737)","polyol (CHEBI:26191)","organic hydroxy compound (CHEBI:33822)","alcohol (CHEBI:30879)","steroid lactone (CHEBI:26766)"],"classification_version":"2.1","predicted_lipidmaps_terms":["C30 isoprenoids (triterpenes) (PR0106)","Steryl esters (ST0102)","Sterol Lipids (ST)","Withanolides and derivatives (ST0116)","Prenol Lipids (PR)"]},"npclassifier":{"isglycoside":false,"class_results":["Lanostane, Tirucallane and Euphane triterpenoids"],"pathway_results":["Terpenoids"],"superclass_results":["Triterpenoids"]}}